2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

C20H21ClN4O4S2 — CID 108753201

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1[nH]cnc1-c1cccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S2/c21-16-4-3-14(31(27,28)25-7-9-29-10-8-25)12-15(16)20(26)22-6-5-17-19(24-13-23-17)18-2-1-11-30-18/h1-4,11-13H,5-10H2,(H,22,26)(H,23,24)
InChIKeyARLZLUMLNZUSCU-UHFFFAOYSA-N
MW481.00 g/mol
LogP2.79
Rot. Bonds7

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108753201) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108753201
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1[nH]cnc1-c1cccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S2/c21-16-4-3-14(31(27,28)25-7-9-29-10-8-25)12-15(16)20(26)22-6-5-17-19(24-13-23-17)18-2-1-11-30-18/h1-4,11-13H,5-10H2,(H,22,26)(H,23,24)
InChIKeyARLZLUMLNZUSCU-UHFFFAOYSA-N
XLogP2.79
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 21008889
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
2-methyl-5-morpholin-4-ylsulfonyl-N-(2-pyridin-3-ylethyl)benzamide
CID 55555141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108753201) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1[nH]cnc1-c1cccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is ARLZLUMLNZUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c21-16-4-3-14(31(27,28)25-7-9-29-10-8-25)12-15(16)20(26)22-6-5-17-19(24-13-23-17)18-2-1-11-30-18/h1-4,11-13H,5-10H2,(H,22,26)(H,23,24).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 481.00 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108753201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).